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BDBM50107552 CHEMBL169667::N-[2-Amino-6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(N)nc1OCCOc1ncc(Br)cn1

InChI Key: InChIKey=OJTZYWBGXIEOJA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107552   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endothelin receptor ET-A


(Sus scrofa)		BDBM50107552
PNG
(CHEMBL169667 | N-[2-Amino-6-[2-(5-bromo-pyrimidin-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(N)nc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H29BrN6O6S/c1-27(2,3)17-9-11-19(12-10-17)41(35,36)34-23-22(40-21-8-6-5-7-20(21)37-4)24(33-25(29)32-23)38-13-14-39-26-30-15-18(28)16-31-26/h5-12,15-16H,13-14H2,1-4H3,(H3,29,32,33,34)
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PC sid
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Similars
PubMed
n/an/a>10n/an/an/an/an/an/a



Tanabe Seiyaku Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.

Bioorg Med Chem Lett 12: 81-4 (2001)


BindingDB Entry DOI: 10.7270/Q2VX0FSC
More data for this
Ligand-Target Pair